3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C2=NNC(=S)N2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)C2=NNC(=S)N2C)C

InChI

InChI=1S/C13H17N3OS/c1-8-5-6-11(7-9(8)2)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)/t10-/m0/s1